Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC4 | O15439 | 4/20 | 0.79 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.79 |
| ▸ | GPBAR1 | Q8TDU6 | 8/20 | 0.75 |
| ▸ | NR1H4 | Q96RI1 | 6/20 | 0.75 |
| ▸ | ABCB11 | O95342 | 4/20 | 0.75 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.75 |
| ▸ | SLC10A1 | Q14973 | 3/20 | 0.66 |
| ▸ | SLC10A2 | Q12908 | 4/20 | 0.65 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.64 |
| ▸ | VDR | P11473 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.60 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.60 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL232879 | 1.00 | ABCC4 (0.79) | ABCC4ABCC1GPBAR1NR1H4ABCB11 | |
| SCHEMBL30524945 | 1.00 | ABCC4 (0.79) | ABCC4ABCC1GPBAR1NR1H4ABCB11 | |
| SCHEMBL232878 | 1.00 | ABCC4 (0.79) | ABCC4ABCC1GPBAR1NR1H4ABCB11 | |
| SCHEMBL1655229 | 1.00 | ABCC4 (0.79) | ABCC4ABCC1GPBAR1NR1H4ABCB11 | |
| SCHEMBL28901763 | 0.91 | VDR (0.77) | ABCC4ABCC1GPBAR1NR1H4ABCB11 | |
| SCHEMBL18280265 | 0.91 | VDR (0.77) | ABCC4ABCC1GPBAR1NR1H4ABCB11 | |
| SCHEMBL1655224 | 0.91 | VDR (0.77) | ABCC4ABCC1GPBAR1NR1H4ABCB11 | |
| SCHEMBL1654530 | 0.91 | VDR (0.77) | ABCC4ABCC1GPBAR1NR1H4ABCB11 | |
| SCHEMBL18280267 | 0.91 | VDR (0.77) | ABCC4ABCC1GPBAR1NR1H4ABCB11 | |
| Taurochenodeoxycholate Sulfate SCHEMBL29428419 | 0.89 | SLC10A1 (0.81) | ABCC4ABCC1GPBAR1NR1H4ABCB11 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118566493-A | Preparation method of blood reference product applied to next generation metabonomics | 上海阿趣生物科技有限公司 | 2024-08-30 | — | — | CN | disclosed |